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CAS:442644-28-2
MF:C21H18N2O6
MW:394.38
product details:
CAS: | 442644-28-2 |
MF: | C21H18N2O6 |
MW: | 394.38 |
Boiling point. | 728.6±60.0℃(Predicted) |
Density | 1.54±0.1 g/cm3(Predicted) |
storage temp. | 2-8℃ |
solubility | DMSO:>5mg/mL |
fom | powder |
pka | 13.39±0.20(Predicted) |
color | white to beige |
XLogP3-AA | 0.5 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 0 |
Exact Mass | 394.11648630 g/mo |
Monoisotopic Mass | 394.11648630 g/mol |
Topological Polar Surface Area | 95.1A² |
Heavy Atom Count | 29 |
Formal Charge | 0 |
Complexity | 647 |
sotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
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